methyl (4S,5R)-3-acetyloxy-4,5-bis(2-phenylethanoyloxy)cyclohexene-1-carboxylate

Systemtic Name: methyl (4S,5R)-3-acetyloxy-4,5-bis(2-phenylethanoyloxy)cyclohexene-1-carboxylate Openeye Name: methyl (4S,5R)-3-acetoxy-4,5-bis[(2-phenylacetyl)oxy]cyclohexene-1-carboxylate CAS Name: (4S,5R)-3-acetyloxy-4,5-bis(1-oxo-2-phenylethoxy)-1-cyclohexenecarboxylic acid methyl ester IUPAC Name: methyl (4S,5R)-3-acetyloxy-4,5-bis[(2-phenylacetyl)oxy]cyclohexene-1-carboxylate Traditional Name: (4S,5R)-3-acetoxy-4,5-bis[(2-phenylacetyl)oxy]cyclohexene-1-carboxylic acid methyl ester Formula: C26H26O8 MolecularWeight: 466.47984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C=C(CC(C1OC(=O)CC2=CC=CC=C2)OC(=O)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(=O)OC1C=C(C[C@H]([C@@H]1OC(=O)CC2=CC=CC=C2)OC(=O)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C26H26O8/c1-17(27)32-21-15-20(26(30)31-2)16-22(33-23(28)13-18-9-5-3-6-10-18)25(21)34-24(29)14-19-11-7-4-8-12-19/h3-12,15,21-22,25H,13-14,16H2,1-2H3/t21?,22-,25-/m1/s1